SCHEMBL789045

SCHEMBL789045

COc1ccc(Br)c2ccoc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HPGD P15428 5/20 0.50
LMNA P02545 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 6/20 0.44
CYP3A4 P08684 5/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNA3 P22001 2/20 0.37
CYP1A1 P04798 1/20 0.37
POLB P06746 1/20 0.37
CYP1B1 Q16678 1/20 0.37
F2RL3 Q96RI0 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2120997 0.85 ALDH1A1 (0.42) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL28125752 0.84 ALDH1A1 (0.56) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL8358409 0.78 ALDH1A1 (0.51) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL1747096 0.77 ALDH1A1 (0.50) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL24715944 0.77 ALDH1A1 (0.50) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL31553097 0.77 HTR2A (0.35)
SCHEMBL23218543 0.74 KMT2A (0.42) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL16844564 0.74 HTR2A (0.35) ALDH1A1
SCHEMBL2122119 0.73 IMPDH2 (0.54) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL2992833 0.73 ALDH1A1 (0.50) ALDH1A1HPGDLMNAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3093017-A1 PHARMACEUTICAL COMPOSITION COMPRISING (S)-(3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL FOR USE IN TREATING MAMMALIAN CONDITIONS ALLERGAN, INC. (US) 2016-11-16 EP claimed
EP-2734200-A1 ALPHA-2 ADRENERGIC MODULATORS FOR TREATING VISUAL DISORDERS MEDIATED BY CENTRAL VISUAL PROJECTIONS FROM THE EYE Allergan, Inc. (US) 2014-05-28 EP claimed
WO-2013016073-A1 ALPHA-2 ADRENERGIC MODULATORS FOR TREATING VISUAL DISORDERS MEDIATED BY CENTRAL VISUAL PROJECTIONS FROM THE EYE ALLERGAN, INC. (US) 2013-01-31 WO claimed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-09-10 US disclosed
EP-3659600-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL FOR TREATING RETINAL DISEASES ALLERGAN, INC. (US) 2020-06-03 EP disclosed
US-10603331-B2 Method of treating disorders caused by reduced neurotransmission of serotonin, norephnephrine or dopamine OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-31 US disclosed
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-05-16 US disclosed
US-10064879-B2 Method for treating depression and/or depression status with substituted quinoxaline compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-04 US disclosed
US-20170224713-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-10 US disclosed
EP-3093017-A1 PHARMACEUTICAL COMPOSITION COMPRISING (S)-(3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL FOR USE IN TREATING MAMMALIAN CONDITIONS ALLERGAN, INC. (US) 2016-11-16 EP disclosed
US-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443111-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2012037499-A1 ESTER PRO-DRUGS OF [3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL] METHANOL ALLERGAN, INC. (US) 2012-03-22 WO disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 WO disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-06-23 US disclosed
WO-2010145203-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
WO-2010145203-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed
WO-2010093930-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (3-(1-(1H-IMIDAZOL-4-YL)ETHYL)-2-METHYLPHENYL)METHANOL ALLERGAN, INC. (US) 2010-08-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C ALDH1A1 1739/4885HPGD 1039/4885LMNA 258/4885
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH ALDH1A1 2027/4885HPGD 318/4885LMNA 437/4885
US-20170224713-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 ALDH1A1 2931/4885HPGD 789/4885LMNA 1124/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 ALDH1A1 2931/4885HPGD 789/4885LMNA 1124/4885
US-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 ALDH1A1 1772/4885HPGD 1322/4885LMNA 2987/4885
US-20110152246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, IRF3 ALDH1A1 1679/4885HPGD 3113/4885LMNA 2659/4885
US-10603331-B2 Method of treating disorders caused by reduced neurotransmission of serotonin, norephnephrine or dopamine MC2R, PNMT, SLC6A2 ALDH1A1 1841/4885HPGD 495/4885LMNA 730/4885
US-10064879-B2 Method for treating depression and/or depression status with substituted quinoxaline compounds KYNU, CRH, CHRM1 ALDH1A1 1905/4885HPGD 634/4885LMNA 552/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.